featomic-torch 0.6.1__py3-none-win_amd64.whl → 0.7.0__py3-none-win_amd64.whl

featomic/torch/torch-2.7/include/featomic/torch.hpp

@@ -0,0 +1,10 @@
+#ifndef FEATOMIC_TORCH_HPP
+#define FEATOMIC_TORCH_HPP
+
+#include "featomic/torch/exports.h" // IWYU pragma: export
+
+#include "featomic/torch/system.hpp" // IWYU pragma: export
+#include "featomic/torch/calculator.hpp" // IWYU pragma: export
+
+
+#endif

featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -0,0 +1,85 @@
+# This is a basic version file for the Config-mode of find_package().
+# It is used by write_basic_package_version_file() as input file for configure_file()
+# to create a version-file which can be installed along a config.cmake file.
+#
+# The created file sets PACKAGE_VERSION_EXACT if the current version string and
+# the requested version string are exactly the same and it sets
+# PACKAGE_VERSION_COMPATIBLE if the current version is >= requested version,
+# but only if the requested major and minor versions are the same as the current
+# one.
+# The variable CVF_VERSION must be set before calling configure_file().
+
+
+set(PACKAGE_VERSION "0.7.0")
+
+if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
+  set(PACKAGE_VERSION_COMPATIBLE FALSE)
+else()
+
+  if("0.7.0" MATCHES "^([0-9]+)\\.([0-9]+)")
+    set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
+    set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
+
+    if(NOT CVF_VERSION_MAJOR VERSION_EQUAL 0)
+      string(REGEX REPLACE "^0+" "" CVF_VERSION_MAJOR "${CVF_VERSION_MAJOR}")
+    endif()
+    if(NOT CVF_VERSION_MINOR VERSION_EQUAL 0)
+      string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
+    endif()
+  else()
+    set(CVF_VERSION_MAJOR "0.7.0")
+    set(CVF_VERSION_MINOR "")
+  endif()
+
+  if(PACKAGE_FIND_VERSION_RANGE)
+    # both endpoints of the range must have the expected major and minor versions
+    math (EXPR CVF_VERSION_MINOR_NEXT "${CVF_VERSION_MINOR} + 1")
+    if (NOT (PACKAGE_FIND_VERSION_MIN_MAJOR STREQUAL CVF_VERSION_MAJOR
+          AND PACKAGE_FIND_VERSION_MIN_MINOR STREQUAL CVF_VERSION_MINOR)
+        OR ((PACKAGE_FIND_VERSION_RANGE_MAX STREQUAL "INCLUDE"
+            AND NOT (PACKAGE_FIND_VERSION_MAX_MAJOR STREQUAL CVF_VERSION_MAJOR
+              AND PACKAGE_FIND_VERSION_MAX_MINOR STREQUAL CVF_VERSION_MINOR))
+          OR (PACKAGE_FIND_VERSION_RANGE_MAX STREQUAL "EXCLUDE"
+            AND NOT PACKAGE_FIND_VERSION_MAX VERSION_LESS_EQUAL ${CVF_VERSION_MAJOR}.${CVF_VERSION_MINOR_NEXT})))
+      set(PACKAGE_VERSION_COMPATIBLE FALSE)
+    elseif(PACKAGE_FIND_VERSION_MIN_MAJOR STREQUAL CVF_VERSION_MAJOR
+        AND PACKAGE_FIND_VERSION_MIN_MINOR STREQUAL CVF_VERSION_MINOR
+        AND ((PACKAGE_FIND_VERSION_RANGE_MAX STREQUAL "INCLUDE" AND PACKAGE_VERSION VERSION_LESS_EQUAL PACKAGE_FIND_VERSION_MAX)
+        OR (PACKAGE_FIND_VERSION_RANGE_MAX STREQUAL "EXCLUDE" AND PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION_MAX)))
+      set(PACKAGE_VERSION_COMPATIBLE TRUE)
+    else()
+      set(PACKAGE_VERSION_COMPATIBLE FALSE)
+    endif()
+  else()
+    if(NOT PACKAGE_FIND_VERSION_MAJOR VERSION_EQUAL 0)
+      string(REGEX REPLACE "^0+" "" PACKAGE_FIND_VERSION_MAJOR "${PACKAGE_FIND_VERSION_MAJOR}")
+    endif()
+    if(NOT PACKAGE_FIND_VERSION_MINOR VERSION_EQUAL 0)
+      string(REGEX REPLACE "^0+" "" PACKAGE_FIND_VERSION_MINOR "${PACKAGE_FIND_VERSION_MINOR}")
+    endif()
+
+    if((PACKAGE_FIND_VERSION_MAJOR STREQUAL CVF_VERSION_MAJOR) AND
+        (PACKAGE_FIND_VERSION_MINOR STREQUAL CVF_VERSION_MINOR))
+      set(PACKAGE_VERSION_COMPATIBLE TRUE)
+    else()
+      set(PACKAGE_VERSION_COMPATIBLE FALSE)
+    endif()
+
+    if(PACKAGE_FIND_VERSION STREQUAL PACKAGE_VERSION)
+      set(PACKAGE_VERSION_EXACT TRUE)
+    endif()
+  endif()
+endif()
+
+
+# if the installed or the using project don't have CMAKE_SIZEOF_VOID_P set, ignore it:
+if("${CMAKE_SIZEOF_VOID_P}" STREQUAL "" OR "8" STREQUAL "")
+  return()
+endif()
+
+# check that the installed version has the same 32/64bit-ness as the one which is currently searching:
+if(NOT CMAKE_SIZEOF_VOID_P STREQUAL "8")
+  math(EXPR installedBits "8 * 8")
+  set(PACKAGE_VERSION "${PACKAGE_VERSION} (${installedBits}bit)")
+  set(PACKAGE_VERSION_UNSUITABLE TRUE)
+endif()

featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -0,0 +1,32 @@
+include(CMakeFindDependencyMacro)
+
+# use the same version for featomic as the main CMakeLists.txt
+set(REQUIRED_FEATOMIC_VERSION 0.6)
+find_package(featomic ${REQUIRED_FEATOMIC_VERSION} CONFIG REQUIRED)
+
+# use the same version for metatensor_torch as the main CMakeLists.txt
+set(REQUIRED_METATENSOR_TORCH_VERSION 0.7.6)
+find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
+
+# use the same version for metatomic_torch as the main CMakeLists.txt
+set(REQUIRED_METATOMIC_TORCH_VERSION 0.1)
+find_package(metatomic_torch ${REQUIRED_METATOMIC_TORCH_VERSION} CONFIG REQUIRED)
+
+# We can only load metatensorfeatomic_torch with the same minor version of Torch
+# that was used to compile it (and is stored in BUILD_TORCH_VERSION)
+set(BUILD_TORCH_VERSION 2.7.0)
+set(BUILD_TORCH_MAJOR 2)
+set(BUILD_TORCH_MINOR 7)
+
+find_package(Torch ${BUILD_TORCH_VERSION} REQUIRED)
+
+if (NOT "${BUILD_TORCH_MAJOR}" STREQUAL "${Torch_VERSION_MAJOR}")
+    message(FATAL_ERROR "found incompatible torch version: featomic-torch was built against v${BUILD_TORCH_VERSION} but we found v${Torch_VERSION}")
+endif()
+
+if (NOT "${BUILD_TORCH_MINOR}" STREQUAL "${Torch_VERSION_MINOR}")
+    message(FATAL_ERROR "found incompatible torch version: featomic-torch was built against v${BUILD_TORCH_VERSION} but we found v${Torch_VERSION}")
+endif()
+
+
+include(${CMAKE_CURRENT_LIST_DIR}/featomic_torch-targets.cmake)

featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake

@@ -0,0 +1,19 @@
+#----------------------------------------------------------------
+# Generated CMake target import file for configuration "Release".
+#----------------------------------------------------------------
+
+# Commands may need to know the format version.
+set(CMAKE_IMPORT_FILE_VERSION 1)
+
+# Import target "featomic_torch" for configuration "Release"
+set_property(TARGET featomic_torch APPEND PROPERTY IMPORTED_CONFIGURATIONS RELEASE)
+set_target_properties(featomic_torch PROPERTIES
+  IMPORTED_IMPLIB_RELEASE "${_IMPORT_PREFIX}/lib/featomic_torch.lib"
+  IMPORTED_LOCATION_RELEASE "${_IMPORT_PREFIX}/bin/featomic_torch.dll"
+  )
+
+list(APPEND _cmake_import_check_targets featomic_torch )
+list(APPEND _cmake_import_check_files_for_featomic_torch "${_IMPORT_PREFIX}/lib/featomic_torch.lib" "${_IMPORT_PREFIX}/bin/featomic_torch.dll" )
+
+# Commands beyond this point should not need to know the version.
+set(CMAKE_IMPORT_FILE_VERSION)

featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -0,0 +1,108 @@
+# Generated by CMake
+
+if("${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}" LESS 2.8)
+   message(FATAL_ERROR "CMake >= 2.8.12 required")
+endif()
+if(CMAKE_VERSION VERSION_LESS "2.8.12")
+   message(FATAL_ERROR "CMake >= 2.8.12 required")
+endif()
+cmake_policy(PUSH)
+cmake_policy(VERSION 2.8.12...3.30)
+#----------------------------------------------------------------
+# Generated CMake target import file.
+#----------------------------------------------------------------
+
+# Commands may need to know the format version.
+set(CMAKE_IMPORT_FILE_VERSION 1)
+
+# Protect against multiple inclusion, which would fail when already imported targets are added once more.
+set(_cmake_targets_defined "")
+set(_cmake_targets_not_defined "")
+set(_cmake_expected_targets "")
+foreach(_cmake_expected_target IN ITEMS featomic_torch)
+  list(APPEND _cmake_expected_targets "${_cmake_expected_target}")
+  if(TARGET "${_cmake_expected_target}")
+    list(APPEND _cmake_targets_defined "${_cmake_expected_target}")
+  else()
+    list(APPEND _cmake_targets_not_defined "${_cmake_expected_target}")
+  endif()
+endforeach()
+unset(_cmake_expected_target)
+if(_cmake_targets_defined STREQUAL _cmake_expected_targets)
+  unset(_cmake_targets_defined)
+  unset(_cmake_targets_not_defined)
+  unset(_cmake_expected_targets)
+  unset(CMAKE_IMPORT_FILE_VERSION)
+  cmake_policy(POP)
+  return()
+endif()
+if(NOT _cmake_targets_defined STREQUAL "")
+  string(REPLACE ";" ", " _cmake_targets_defined_text "${_cmake_targets_defined}")
+  string(REPLACE ";" ", " _cmake_targets_not_defined_text "${_cmake_targets_not_defined}")
+  message(FATAL_ERROR "Some (but not all) targets in this export set were already defined.\nTargets Defined: ${_cmake_targets_defined_text}\nTargets not yet defined: ${_cmake_targets_not_defined_text}\n")
+endif()
+unset(_cmake_targets_defined)
+unset(_cmake_targets_not_defined)
+unset(_cmake_expected_targets)
+
+
+# Compute the installation prefix relative to this file.
+get_filename_component(_IMPORT_PREFIX "${CMAKE_CURRENT_LIST_FILE}" PATH)
+get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
+get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
+get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
+if(_IMPORT_PREFIX STREQUAL "/")
+  set(_IMPORT_PREFIX "")
+endif()
+
+# Create imported target featomic_torch
+add_library(featomic_torch SHARED IMPORTED)
+
+set_target_properties(featomic_torch PROPERTIES
+  INTERFACE_COMPILE_FEATURES "cxx_std_17"
+  INTERFACE_INCLUDE_DIRECTORIES "${_IMPORT_PREFIX}/include"
+  INTERFACE_LINK_LIBRARIES "torch;metatomic_torch;metatensor_torch;featomic::shared"
+)
+
+# Load information for each installed configuration.
+file(GLOB _cmake_config_files "${CMAKE_CURRENT_LIST_DIR}/featomic_torch-targets-*.cmake")
+foreach(_cmake_config_file IN LISTS _cmake_config_files)
+  include("${_cmake_config_file}")
+endforeach()
+unset(_cmake_config_file)
+unset(_cmake_config_files)
+
+# Cleanup temporary variables.
+set(_IMPORT_PREFIX)
+
+# Loop over all imported files and verify that they actually exist
+foreach(_cmake_target IN LISTS _cmake_import_check_targets)
+  if(CMAKE_VERSION VERSION_LESS "3.28"
+      OR NOT DEFINED _cmake_import_check_xcframework_for_${_cmake_target}
+      OR NOT IS_DIRECTORY "${_cmake_import_check_xcframework_for_${_cmake_target}}")
+    foreach(_cmake_file IN LISTS "_cmake_import_check_files_for_${_cmake_target}")
+      if(NOT EXISTS "${_cmake_file}")
+        message(FATAL_ERROR "The imported target \"${_cmake_target}\" references the file
+   \"${_cmake_file}\"
+but this file does not exist.  Possible reasons include:
+* The file was deleted, renamed, or moved to another location.
+* An install or uninstall procedure did not complete successfully.
+* The installation package was faulty and contained
+   \"${CMAKE_CURRENT_LIST_FILE}\"
+but not all the files it references.
+")
+      endif()
+    endforeach()
+  endif()
+  unset(_cmake_file)
+  unset("_cmake_import_check_files_for_${_cmake_target}")
+endforeach()
+unset(_cmake_target)
+unset(_cmake_import_check_targets)
+
+# This file does not depend on other imported targets which have
+# been exported from the same project but in a separate export set.
+
+# Commands beyond this point should not need to know the version.
+set(CMAKE_IMPORT_FILE_VERSION)
+cmake_policy(POP)

{featomic_torch-0.6.1.dist-info → featomic_torch-0.7.0.dist-info}/METADATA

@@ -1,16 +1,15 @@
-Metadata-Version: 2.2
+Metadata-Version: 2.4
 Name: featomic-torch
-Version: 0.6.1
+Version: 0.7.0
 Summary: TorchScript bindings to featomic
 Author: Guillaume Fraux, Philip Loche, Sergei Kliavinek, Kevin Kazuki Huguenin-Dumittan, Davide Tisi, Alexander Goscinski
-License: BSD-3-Clause
+License-Expression: BSD-3-Clause
 Project-URL: homepage, https://metatensor.github.io/featomic/latest/
 Project-URL: documentation, https://metatensor.github.io/featomic/latest/
 Project-URL: repository, https://github.com/metatensor/featomic
 Keywords: computational science,machine learning,molecular modeling,atomistic representations,torch
 Classifier: Development Status :: 4 - Beta
 Classifier: Intended Audience :: Science/Research
-Classifier: License :: OSI Approved :: BSD License
 Classifier: Operating System :: POSIX
 Classifier: Operating System :: MacOS :: MacOS X
 Classifier: Operating System :: Microsoft :: Windows
@@ -26,10 +25,12 @@ Requires-Python: >=3.9
 Description-Content-Type: text/x-rst
 License-File: LICENSE
 License-File: AUTHORS
-Requires-Dist: torch >=2.1,<2.7
-Requires-Dist: metatensor-torch<0.8.0,>=0.7.0
+Requires-Dist: torch >=2.1,<2.8
+Requires-Dist: metatensor-torch<0.8,>=0.7.6
+Requires-Dist: metatomic-torch<0.2,>=0.1.1
 Requires-Dist: featomic<0.7.0,>=0.6.0
 Dynamic: author
+Dynamic: license-file
 Dynamic: requires-dist
 
 featomic-torch

featomic_torch-0.7.0.dist-info/RECORD

@@ -0,0 +1,91 @@
+featomic/torch/__init__.py,sha256=kseeHpjGIT26zaBFcyzdk829Vxi9d_7YpFRbm1SvH0s,943
+featomic/torch/_build_versions.py,sha256=FVxiQiWlUfCzJAHfu-Z0XC34oo22M5bhdTJnP7WBoK0,129
+featomic/torch/_c_lib.py,sha256=I8TtUKVce_SviClBMoUH8RFyDsCp-MBIBxre-Mly2gY,4643
+featomic/torch/calculator_base.py,sha256=JpdYUyviO0kJGYo1TrfyJemRyUl46ga9wgXk17UaNnE,6987
+featomic/torch/calculators.py,sha256=0nR85JfjqvyIZacwcmRlyniR-9SAukJTLAFugFR0gaQ,2040
+featomic/torch/clebsch_gordan.py,sha256=bExbtrK0oqVLADUmS0x9xE2ZLXb4vAOi8kBCQD9uUEQ,3115
+featomic/torch/system.py,sha256=0META2Q3JVQ2EhJFDmtK8DQmmVxnKktI1mNipfdkCjg,2887
+featomic/torch/utils.py,sha256=2Dh8B4UqD2rH49KVGe_98TPhfrESjDQMT8fdIKWmZzo,416
+featomic/torch/torch-2.1/bin/featomic_torch.dll,sha256=VBr-bM27ky0eHyyi3HH03gyt-NtEJiPmrsqBE4-8W-8,438272
+featomic/torch/torch-2.1/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
+featomic/torch/torch-2.1/include/featomic/torch/autograd.hpp,sha256=5tOtMRLbgqlmW7kDDaabAJQvEBtc_xoSKpTlTBZx8kk,2371
+featomic/torch/torch-2.1/include/featomic/torch/calculator.hpp,sha256=7tXXDB5NcYB5sauJpv7aJPsokCY4qXBWZuxld1Hm-gk,4551
+featomic/torch/torch-2.1/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
+featomic/torch/torch-2.1/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
+featomic/torch/torch-2.1/lib/featomic_torch.lib,sha256=2nSTnJhBQBshwUTFaRFe3mR-tGwJUJx-sGpI1IpoQFE,72764
+featomic/torch/torch-2.1/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=2PqZZZ4tW43ekI6wNhmbFZzBYEV5hqSY2Z5SeWxqfxk,3760
+featomic/torch/torch-2.1/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=jIHZ9gWTyP_405pXQ1HeNdF0hkxr2hWF7UFvxAfQpi0,1428
+featomic/torch/torch-2.1/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
+featomic/torch/torch-2.1/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=MySX7BvQjdi5g90uV1cphwyH6Kbs2LowTqCB_3oKjFU,4364
+featomic/torch/torch-2.2/bin/featomic_torch.dll,sha256=SL-o6_kNTD0g3ob71B_MKEMmRL8c4MkSwnZ7CNZ9MAI,441344
+featomic/torch/torch-2.2/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
+featomic/torch/torch-2.2/include/featomic/torch/autograd.hpp,sha256=5tOtMRLbgqlmW7kDDaabAJQvEBtc_xoSKpTlTBZx8kk,2371
+featomic/torch/torch-2.2/include/featomic/torch/calculator.hpp,sha256=7tXXDB5NcYB5sauJpv7aJPsokCY4qXBWZuxld1Hm-gk,4551
+featomic/torch/torch-2.2/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
+featomic/torch/torch-2.2/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
+featomic/torch/torch-2.2/lib/featomic_torch.lib,sha256=WJIEHKeX9iimoG9ilQy3vr1IrrfnyYW9EXiF0rA5Fsw,72792
+featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=2PqZZZ4tW43ekI6wNhmbFZzBYEV5hqSY2Z5SeWxqfxk,3760
+featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=ZJa--xrEO7VNoxWF4VAdPj4A-CiTMWNTJb4cxJxs0Zg,1428
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+featomic/torch/torch-2.3/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
+featomic/torch/torch-2.3/include/featomic/torch/autograd.hpp,sha256=5tOtMRLbgqlmW7kDDaabAJQvEBtc_xoSKpTlTBZx8kk,2371
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+featomic/torch/torch-2.3/lib/featomic_torch.lib,sha256=hF52oL6EpZbW_maY0Ue5vfYNfsDX8jccZhst3n9Wg14,72454
+featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=2PqZZZ4tW43ekI6wNhmbFZzBYEV5hqSY2Z5SeWxqfxk,3760
+featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=LNRI7ljhoOynlFRW1G9fioSSyWgEp427bxwWIwYh6XY,1428
+featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
+featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=MySX7BvQjdi5g90uV1cphwyH6Kbs2LowTqCB_3oKjFU,4364
+featomic/torch/torch-2.4/bin/featomic_torch.dll,sha256=QxSgGfAnzN7yAv-IhZl14CgoQORHS9_CYw33G3jFDx0,459776
+featomic/torch/torch-2.4/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
+featomic/torch/torch-2.4/include/featomic/torch/autograd.hpp,sha256=5tOtMRLbgqlmW7kDDaabAJQvEBtc_xoSKpTlTBZx8kk,2371
+featomic/torch/torch-2.4/include/featomic/torch/calculator.hpp,sha256=7tXXDB5NcYB5sauJpv7aJPsokCY4qXBWZuxld1Hm-gk,4551
+featomic/torch/torch-2.4/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
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